ergo
xcmat_r_u_test.cc File Reference
#include <stdio.h>
#include <unistd.h>
#include <memory>
#include <limits>
#include "integrals_1el_potential.h"
#include "integrals_2el.h"
#include "memorymanag.h"
#include "grid_reader.h"
#include "dft_common.h"
#include "xc_matrix.h"

Functions

static bool compare_matrices (char mat_name, const real *computed, const real *ref, int sz, ergo_real eps)
 
static int test_small (const IntegralInfo &ii, const char *functional, const Dft::GridParams::RadialScheme &gridScheme, const char *gridSchemeName, const int *charges, const real(*coords)[3])
 
static int test_small_both ()
 
int main (int argc, char *argv[])
 

Detailed Description

Tests the DFT XC matrix construction. Calls both restricted and unrestricted versions of the XC matrix construction code, and verifies that the end results are close enough.

Function Documentation

◆ compare_matrices()

static bool compare_matrices ( char  mat_name,
const real computed,
const real ref,
int  sz,
ergo_real  eps 
)
static

References template_blas_fabs().

Referenced by test_small().

◆ main()

int main ( int  argc,
char *  argv[] 
)

References test_small_both().

◆ test_small()

◆ test_small_both()

static int test_small_both ( )
static